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Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Sigma non-opioid intracellular receptor 1' and Ligand = 'BDBM50001044'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sigma non-opioid intracellular receptor 1


(Cavia porcellus (Guinea pig))
BDBM50001044
PNG
((1S,9S,13S)-10-allyl-1,13-dimethyl-10-azatricyclo[...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m1/s1
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Similars

60n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50001044
PNG
((1S,9S,13S)-10-allyl-1,13-dimethyl-10-azatricyclo[...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m1/s1
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PC sid
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Article
157n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of [3H]-pentazocine binding to Sigma opioid receptor type 1


Bioorg Med Chem Lett 7: 2303-2306 (1997)


Article DOI: 10.1016/S0960-894X(97)00417-4
BindingDB Entry DOI: 10.7270/Q2319VVV
More data for this
Ligand-Target Pair
Sigma non-opioid intracellular receptor 1


(Homo sapiens (Human))
BDBM50001044
PNG
((1S,9S,13S)-10-allyl-1,13-dimethyl-10-azatricyclo[...)
Show SMILES C[C@@H]1[C@@H]2Cc3ccc(O)cc3[C@]1(C)CCN2CC=C |TLB:16:15:1:10.4.3|
Show InChI InChI=1S/C17H23NO/c1-4-8-18-9-7-17(3)12(2)16(18)10-13-5-6-14(19)11-15(13)17/h4-6,11-12,16,19H,1,7-10H2,2-3H3/t12-,16+,17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Similars

169n/an/an/an/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair